UCSF

ZINC15773370

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 10.41 -18.28 1 5 0 72 502.944 2
Lo Low (pH 4.5-6) 4.43 10.11 -34.88 2 5 1 73 503.952 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )